10935 1 2 3 4 5 6 7 8 9 10 8 8 7 6 6 6 6 1 1 1 1 2 3 3 3 4 5 6 6 7 4 5 4 5 8 6 7 7 9 10 2 2 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -2.2947 2.2946 -0.0001 -1.1266 1.1266 -0.6673 0.6674 -0.0001 -1.319 1.3192 -0.5367 -0.5368 -0.9608 -0.1901 -0.1902 1.2073 1.2072 -1.9744 2.0645 2.0643 0 0.0003 -0.0003 0.0003 -0.0002 0.0001 -0.0002 -0.0003 0.0002 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002AB700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.0047 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.297 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18412549781982573734 20096714 4 18123472949323228577 21040471 1 17978228592812454021 23552423 10 18044385920014966406 29004967 10 18408889563407815819 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 127.34 2.35 1.23 0.58 0 0.34 0 -0.68 0 0 0 0 0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 267.904 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 -0.57 10 0.15 2 -0.57 3 -0.49 4 0.62 5 0.62 6 -0.14 7 -0.14 8 0.37 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 2 acceptor 1 3 donor 5 3 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 2